1160-0081 Screening compound: 3,5-dimethyl pyridine-3,5-dicarboxylate

1160-0081 Screening compound: 3,5-dimethyl pyridine-3,5-dicarboxylate
1160-0081 Screening compound: 3,5-dimethyl pyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1160-0081
3,5-dimethyl pyridine-3,5-dicarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1160-0081

Molecular Formula

C9H9NO4 (C9 H9 NO4)

Compound Name

3,5-dimethyl pyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl pyridine-35-dicarboxylate

SMILES

COC(c1cc(C(OC)=O)cnc1)=O

InChI

InChI=1S/C9H9NO4/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2/h3-5H,1-2H3

InChI Key

HDTNLHHNQYBOHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00518827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.17

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.082

Distribution Coefficient, logD

1.082

Water Solubility, LogSw

-1.11

Polar Surface Area

52.194

Acid Dissociation Constant (pKa)

33.33

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

1160-0081 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1160-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1160-0081?
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What is the minimum amount of 1160-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1160-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1160-0081
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1160-0081 available by request